| Identification | More | [Name]
4-(Trifluoromethylthio)aniline | [CAS]
372-16-7 | [Synonyms]
4-AMINOPHENYL TRIFLUOROMETHYL SULFIDE
4-AMINOPHENYL TRIFLUOROMETHYL SULPHIDE
4-(TRIFLUOROMETHYLSULFANYL)ANILINE
4-(TRIFLUOROMETHYLTHIO)ANILINE
BUTTPARK 44\10-22
IFLAB-BB F1902-0003
4-Trifluoromethylsulfanyl-phenylamine
4-Aminophenyl trifluoromethyl sulphide 96%
4-Aminophenyltrifluoromethylsulphide96%
4-(TRIFLUOROMETHYLTHIO)ANILINE 99%
4-[(Trifluoromethyl)thio]benzenamine | [EINECS(EC#)]
206-744-4 | [Molecular Formula]
C7H6F3NS | [MDL Number]
MFCD00040926 | [Molecular Weight]
193.19 | [MOL File]
372-16-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Boiling point ]
102-103 °C/8 mmHg (lit.) | [density ]
1.351 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.528(lit.)
| [Fp ]
224 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Liquid | [pka]
2.79±0.10(Predicted) | [color ]
Clear colorless to yellow | [Specific Gravity]
1.351 | [Water Solubility ]
insoluble | [BRN ]
2208859 | [InChI]
InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2 | [InChIKey]
OHHHTUXVBNGOGI-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(SC(F)(F)F)C=C1 | [CAS DataBase Reference]
372-16-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenamine, 4-[(trifluoromethyl)thio]-(372-16-7) |
| Questions And Answer | Back Directory | [Uses]
p-Trifluoromethylthioaniline is a useful compound as a manufacturing intermediate for pesticides such as insecticides and acaricides. |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN2810 | [WGK Germany ]
3
| [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29309090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellow liquid | [General Description]
4-(Trifluoromethylthio)aniline is a 4-substituted aniline derivative. | [Synthesis]
General procedure for the synthesis of 4-((trifluoromethyl)thio)aniline from 4-trifluoromethylthio nitrobenzene: A palladium-carbon catalyst (10% Pd/C, 3.5 g) was added to a solution of 4-nitrophenyl trifluoromethyl sulfide (33.5 g, 0.15 mol) in ethanol (400 mL). The reaction mixture was placed in an autoclave and hydrogenated in a hydrogen atmosphere at 40 atm at room temperature for 8 hours. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad and the filter cake was washed well with ethanol. The filtrate and washings were combined and concentrated under reduced pressure to remove the solvent. The residue was washed with water to give 28.4 g (98% yield) of 4-aminophenyl trifluoromethyl sulfide as a brown liquid. The product was characterized as follows: melting point: 110-112 °C/1.70 KPa (literature value: b.p. 113 °C/1.73 KPa); 1H NMR (300 MHz, CDCl3) δ 7.62 (d, J = 8.30 Hz, 2H), 7.42 (dd, J = 8.30 Hz, J = 1.90 Hz, 2H), 3.84 (s, 2H NH2); 19F NMR (220 MHz, CDCl3) δ 44.5 (s, 3F, SCF3); 13C NMR (75 MHz, CDCl3) δ 149.1, 138.2, 126.7, 115.3, 111.3. | [References]
[1] Journal of Fluorine Chemistry, 2007, vol. 128, # 6, p. 636 - 640
[2] Asian Journal of Chemistry, 2017, vol. 29, # 1, p. 91 - 93
[3] Zhurnal Obshchei Khimii, 1952, vol. 22, p. 2216,2219; engl. Ausg. S. 2273, 2276
[4] Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy, 1967, vol. 23, p. 1351 - 1372 |
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